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66737-54-0 | 3-NITRO-L-TYROSINE ETHYL ESTER HYDROCHLORIDE
CAS No: 66737-54-0 Catalog No: AG00FABN MDL No:MFCD06804676
Product Description
Catalog Number:
AG00FABN
Chemical Name:
3-NITRO-L-TYROSINE ETHYL ESTER HYDROCHLORIDE
CAS Number:
66737-54-0
Molecular Formula:
C11H15ClN2O5
Molecular Weight:
290.7002
MDL Number:
MFCD06804676
IUPAC Name:
ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C11H14N2O5.ClH/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17;/h3-4,6,8,14H,2,5,12H2,1H3;1H/t8-;/m0./s1
InChI Key:
GITKQXFBNJTMRP-QRPNPIFTSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N.Cl
EC Number:
266-466-4
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.7g/mol
Monoisotopic Mass:
290.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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